5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol

C13H20F3N3O — CID 106141475

IUPAC5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H20F3N3O/c1-12(2,4-3-5-20)8-19-10-6-11(13(14,15)16)18-7-9(10)17/h6-7,20H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyBFHOOYKCGXLCNC-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.89
Rot. Bonds6

About 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol

5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106141475) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106141475
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C13H20F3N3O/c1-12(2,4-3-5-20)8-19-10-6-11(13(14,15)16)18-7-9(10)17/h6-7,20H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyBFHOOYKCGXLCNC-UHFFFAOYSA-N
XLogP2.89
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol (CID 106141475) is 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is BFHOOYKCGXLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-12(2,4-3-5-20)8-19-10-6-11(13(14,15)16)18-7-9(10)17/h6-7,20H,3-5,8,17H2,1-2H3,(H,18,19).
What are the key properties of 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 291.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).